7-chlorotetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6,12-tetraene

C14H13Cl — CID 67137847

IUPAC7-chlorotetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6,12-tetraene
SMILESClc1cccc2c1CC1C3C=CC(C3)C21
InChIInChI=1S/C14H13Cl/c15-13-3-1-2-10-12(13)7-11-8-4-5-9(6-8)14(10)11/h1-5,8-9,11,14H,6-7H2
InChIKeyOGQJJJQFRYERLA-UHFFFAOYSA-N
MW216.71 g/mol
LogP3.80
Rot. Bonds

About 7-chlorotetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6,12-tetraene

7-chlorotetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6,12-tetraene (PubChem CID 67137847) has the molecular formula C14H13Cl and a molecular weight of 216.71 g/mol. Its IUPAC name is 7-chlorotetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6,12-tetraene.

Molecular Properties

Compound Name7-chlorotetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6,12-tetraene
PubChem CID67137847
Molecular FormulaC14H13Cl
Molecular Weight216.71 g/mol
Exact Mass216.07
IUPAC Name7-chlorotetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6,12-tetraene
SMILESClc1cccc2c1CC1C3C=CC(C3)C21
InChIInChI=1S/C14H13Cl/c15-13-3-1-2-10-12(13)7-11-8-4-5-9(6-8)14(10)11/h1-5,8-9,11,14H,6-7H2
InChIKeyOGQJJJQFRYERLA-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chlorotetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6,12-tetraene?
The IUPAC name of 7-chlorotetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6,12-tetraene (CID 67137847) is 7-chlorotetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6,12-tetraene.
What is the SMILES notation for 7-chlorotetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6,12-tetraene?
The canonical SMILES for 7-chlorotetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6,12-tetraene is Clc1cccc2c1CC1C3C=CC(C3)C21.
What is the InChIKey of 7-chlorotetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6,12-tetraene?
The InChIKey is OGQJJJQFRYERLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl/c15-13-3-1-2-10-12(13)7-11-8-4-5-9(6-8)14(10)11/h1-5,8-9,11,14H,6-7H2.
What are the key properties of 7-chlorotetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6,12-tetraene?
7-chlorotetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6,12-tetraene has a molecular weight of 216.71 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorotetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6,12-tetraene is sourced from PubChem (CID 67137847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).